N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide

C18H22N2O — CID 28766933

IUPACN-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(CCCN)C(=O)c2ccccc2C)c1
InChIInChI=1S/C18H22N2O/c1-14-7-5-9-16(13-14)20(12-6-11-19)18(21)17-10-4-3-8-15(17)2/h3-5,7-10,13H,6,11-12,19H2,1-2H3
InChIKeyAUEWNSSBZGBPQH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.30
Rot. Bonds5

About N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide

N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide (PubChem CID 28766933) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
PubChem CID28766933
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(CCCN)C(=O)c2ccccc2C)c1
InChIInChI=1S/C18H22N2O/c1-14-7-5-9-16(13-14)20(12-6-11-19)18(21)17-10-4-3-8-15(17)2/h3-5,7-10,13H,6,11-12,19H2,1-2H3
InChIKeyAUEWNSSBZGBPQH-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)furan-3-carboxamide
CID 43135957
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
CID 43135936
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide
CID 104637909
N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
CID 91376275
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
CID 62648465

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide (CID 28766933) is N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide is Cc1cccc(N(CCCN)C(=O)c2ccccc2C)c1.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide?
The InChIKey is AUEWNSSBZGBPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-7-5-9-16(13-14)20(12-6-11-19)18(21)17-10-4-3-8-15(17)2/h3-5,7-10,13H,6,11-12,19H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide?
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 28766933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).